methyl 6-[[(Z)-(1-methyl-2-oxidanylidene-indol-3-ylidene)amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-(1-methyl-2-oxidanylidene-indol-3-ylidene)amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-(1-methyl-2-oxo-indolin-3-ylidene)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-(1-methyl-2-oxo-3-indolylidene)hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-(1-methyl-2-oxoindol-3-ylidene)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-(2-keto-1-methyl-indolin-3-ylidene)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NNC(=S)NCCCCCC(=O)OC)C1=O

Isomeric SMILES

CN1C2=CC=CC=C2/C(=N/NC(=S)NCCCCCC(=O)OC)/C1=O

InChI

InChI=1S/C17H22N4O3S/c1-21-13-9-6-5-8-12(13)15(16(21)23)19-20-17(25)18-11-7-3-4-10-14(22)24-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,18,20,25)/b19-15-